3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
• 化学式: C₁₇H₁₇N₃O₂S
• 分子量: 327.4
• InChiKey: UDNDNPRLQAKKQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  78.2
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• [EN] USE OF DERIVATIVES OF 2, 4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONE AS INHIBITORS O FTEH ENZYME MYELOPEROXIDASE (MPO)<br/>[FR] UTILISATION DE DERIVES DE 2, 4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONES COMME INHIBITEURS DE L'ENZYME MYELOPEROXYDASE (MPO)
  申请人：ASTRAZENECA AB

  公开号：WO2004096781A1

  公开（公告）日：2004-11-11

  There is disclosed the use of a compound of formula (I) wherein X, Y, W and Q are as defined in the specification, and pharmaceutically acceptable salts thereof, in the manufacture of a medicament, for the treatment or prophylaxis of diseases or conditions in which inhibition of the enzyme myeloperoxidase (MPO) is beneficial. Certain novel compounds of formula (I) and pharmaceutically acceptable salts thereof are disclosed, together with processes for their preparation. The compounds of formulae (I) are MPO inhibitors and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders.

  揭示了使用公式(I)中X、Y、W和Q如规范中定义的化合物及其药用盐，在制造药物中用于治疗或预防对髓过氧化物酶（MPO）抑制有益的疾病或症状。公开了某些公式(I)的新化合物及其药用盐，以及它们的制备方法。公式(I)的化合物是MPO抑制剂，因此在治疗或预防神经炎症性疾病中特别有用。
• Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo)
  申请人：Svensson Mats

  公开号：US20070093483A1

  公开（公告）日：2007-04-26

  There is disclosed the use of a compound of formula (I) wherein X, Y, W and Q are as defined in the specification, and pharmaceutically acceptable salts thereof, in the manufacture of a medicament, for the treatment or prophylaxis of diseases or conditions in which inhibition of the enzyme myeloperoxidase (MPO) is beneficial. Certain novel compounds of formula (I) and pharmaceutically acceptable salts thereof are disclosed, together with processes for their preparation. The compounds of formulae (I) are MPO inhibitors and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders.

  本发明揭示了使用化合物(I)的使用，其中X、Y、W和Q如规范中所定义，以及其药学上可接受的盐，在制造药物方面，用于治疗或预防抑制髓过氧化物酶（MPO）酶有益的疾病或状况。揭示了某些新型化合物(I)及其药学上可接受的盐，以及其制备方法。化合物(I)的MPO抑制剂，因此特别适用于治疗或预防神经炎症性疾病。
• USE OF DERIVATIVES OF 2, 4-DIHYDRO- 1,2,4 TRIAZOLE-3-THIONE AS INHIBITORS OF THE ENZYME MYELOPEROXIDASE (MPO)
  申请人：AstraZeneca AB

  公开号：EP1620410A1

  公开（公告）日：2006-02-01
• [EN] THIOTRIAZOLYL DERIVATIVES<br/>[FR] DERIVES DE THIOTRIAZOLYLE
  申请人：EPIX DELAWARE INC

  公开号：WO2007047394A2

  公开（公告）日：2007-04-26

  [EN] The invention relates to KvI.5 ion channel antagonists. Novel thiotriazolyl derivative compounds represented by Formula I, and synthesis and uses thereof for treating diseases mediated directly or indirectly by KvI.5 ion channels, are disclosed. Such conditions include numerous heart conditions including atrial fibrillation and other diseases; as well as epilepsy, anxiety, depression, age-related memory loss, migraine, obesity, Parkinson's disease or Alzheimer's disease. Methods of preparation and novel intermediates and pharmaceutical salts thereof are also provided.
  [FR] L'invention concerne des antagonistes des canaux ioniques Kv1.5. Elle concerne notamment de nouveaux dérivés de thiotriazolyle représentés par la formule (I) ainsi que la synthèse et les utilisations de ceux-ci pour traiter des maladies médiées directement ou indirectement par les canaux ioniques Kv1.5. Ces maladies incluent diverses affections cardiaques, telles que la fibrillation auriculaire et d'autres maladies, ainsi que l'épilepsie, l'anxiété, la dépression, la perte de mémoire liée à l'âge, la migraine, l'obésité, la maladie de Parkinson ou la maladie d'Alzheimer. L'invention concerne en outre des procédés de préparation ainsi que de nouveaux produits intermédiaires et des sels pharmaceutiques correspondants.